5-bromo-2-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazole

C11H17BrN2O — CID 117258857

IUPAC5-bromo-2-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazole
SMILESCC(C)N1CCC(c2ncc(Br)o2)CC1
InChIInChI=1S/C11H17BrN2O/c1-8(2)14-5-3-9(4-6-14)11-13-7-10(12)15-11/h7-9H,3-6H2,1-2H3
InChIKeyKFENEKZFYHEJSI-UHFFFAOYSA-N
MW273.17 g/mol
LogP3.02
Rot. Bonds2

About 5-bromo-2-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazole

5-bromo-2-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazole (PubChem CID 117258857) has the molecular formula C11H17BrN2O and a molecular weight of 273.17 g/mol. Its IUPAC name is 5-bromo-2-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazole.

Molecular Properties

Compound Name5-bromo-2-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazole
PubChem CID117258857
Molecular FormulaC11H17BrN2O
Molecular Weight273.17 g/mol
Exact Mass272.05
IUPAC Name5-bromo-2-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazole
SMILESCC(C)N1CCC(c2ncc(Br)o2)CC1
InChIInChI=1S/C11H17BrN2O/c1-8(2)14-5-3-9(4-6-14)11-13-7-10(12)15-11/h7-9H,3-6H2,1-2H3
InChIKeyKFENEKZFYHEJSI-UHFFFAOYSA-N
XLogP3.02
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.17
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazole?
The IUPAC name of 5-bromo-2-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazole (CID 117258857) is 5-bromo-2-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazole.
What is the SMILES notation for 5-bromo-2-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazole?
The canonical SMILES for 5-bromo-2-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazole is CC(C)N1CCC(c2ncc(Br)o2)CC1.
What is the InChIKey of 5-bromo-2-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazole?
The InChIKey is KFENEKZFYHEJSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2O/c1-8(2)14-5-3-9(4-6-14)11-13-7-10(12)15-11/h7-9H,3-6H2,1-2H3.
What are the key properties of 5-bromo-2-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazole?
5-bromo-2-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazole has a molecular weight of 273.17 g/mol, XLogP of 3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazole is sourced from PubChem (CID 117258857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).